methyl 2-[[5-(cyclopropylamino)pyridine-3-carbonyl]amino]benzoate

C17H17N3O3 — CID 109223896

IUPACmethyl 2-[[5-(cyclopropylamino)pyridine-3-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1cncc(NC2CC2)c1
InChIInChI=1S/C17H17N3O3/c1-23-17(22)14-4-2-3-5-15(14)20-16(21)11-8-13(10-18-9-11)19-12-6-7-12/h2-5,8-10,12,19H,6-7H2,1H3,(H,20,21)
InChIKeyUNMHEMPADJKELK-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.69
Rot. Bonds5

About methyl 2-[[5-(cyclopropylamino)pyridine-3-carbonyl]amino]benzoate

methyl 2-[[5-(cyclopropylamino)pyridine-3-carbonyl]amino]benzoate (PubChem CID 109223896) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is methyl 2-[[5-(cyclopropylamino)pyridine-3-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[5-(cyclopropylamino)pyridine-3-carbonyl]amino]benzoate
PubChem CID109223896
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Namemethyl 2-[[5-(cyclopropylamino)pyridine-3-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1cncc(NC2CC2)c1
InChIInChI=1S/C17H17N3O3/c1-23-17(22)14-4-2-3-5-15(14)20-16(21)11-8-13(10-18-9-11)19-12-6-7-12/h2-5,8-10,12,19H,6-7H2,1H3,(H,20,21)
InChIKeyUNMHEMPADJKELK-UHFFFAOYSA-N
XLogP2.69
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[5-(cyclopentylamino)pyridine-3-carbonyl]amino]benzoate
CID 109226206
methyl 2-[[5-(propylamino)pyridine-3-carbonyl]amino]benzoate
CID 109223106
methyl 2-[[5-(3-methylanilino)pyridine-3-carbonyl]amino]benzoate
CID 109241968
N-(2-chlorophenyl)-5-(cyclopentylamino)pyridine-3-carboxamide
CID 109226175
methyl 4-[[5-(cyclohexylamino)pyridine-3-carbonyl]amino]benzoate
CID 109226950
methyl 2-[[5-(3-chloro-4-methylanilino)pyridine-3-carbonyl]amino]benzoate
CID 109244895
methyl 2-[[5-[(2,4-dimethylphenyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109242696
5-(cyclopropylamino)-N-(2-morpholin-4-ylphenyl)pyridine-3-carboxamide
CID 109223906
methyl 2-[[5-[2-(2-fluorophenyl)ethylamino]pyridine-3-carbonyl]amino]benzoate
CID 109236389
methyl 2-[[5-[2-(4-fluorophenyl)ethylamino]pyridine-3-carbonyl]amino]benzoate
CID 109236565
methyl 2-(cyclopropylamino)benzoate
CID 83697867
5-(cyclohexylamino)-N-(2-phenoxyphenyl)pyridine-3-carboxamide
CID 109226974

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[5-(cyclopropylamino)pyridine-3-carbonyl]amino]benzoate?
The IUPAC name of methyl 2-[[5-(cyclopropylamino)pyridine-3-carbonyl]amino]benzoate (CID 109223896) is methyl 2-[[5-(cyclopropylamino)pyridine-3-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[5-(cyclopropylamino)pyridine-3-carbonyl]amino]benzoate?
The canonical SMILES for methyl 2-[[5-(cyclopropylamino)pyridine-3-carbonyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)c1cncc(NC2CC2)c1.
What is the InChIKey of methyl 2-[[5-(cyclopropylamino)pyridine-3-carbonyl]amino]benzoate?
The InChIKey is UNMHEMPADJKELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-23-17(22)14-4-2-3-5-15(14)20-16(21)11-8-13(10-18-9-11)19-12-6-7-12/h2-5,8-10,12,19H,6-7H2,1H3,(H,20,21).
What are the key properties of methyl 2-[[5-(cyclopropylamino)pyridine-3-carbonyl]amino]benzoate?
methyl 2-[[5-(cyclopropylamino)pyridine-3-carbonyl]amino]benzoate has a molecular weight of 311.34 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[5-(cyclopropylamino)pyridine-3-carbonyl]amino]benzoate is sourced from PubChem (CID 109223896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).